chempirical

Sodium p-hydroxymercuribenzoate

C7H5HgNaO3CAS 138-85-2360.70 g/mol

Open in Covalent MOL file
OO−HC−Hg2+Na+HO−
AlkeneCarboxylic acid

Properties

Molecular formula
C7H5HgNaO3
Molar mass
360.70 g/mol
Exact mass
361.9843 Da
logP
-3.58Crippen estimate
Polar surface area
70.1 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
138-85-2
SMILES
O=C([O-])C1=CC=C=C[CH-]1.[Hg+2].[Na+].[OH-]
InChIKey
VOWWCWFCDNZPJY-UHFFFAOYSA-L
InChI
InChI=1S/C7H5O2.Hg.Na.H2O/c8-7(9)6-4-2-1-3-5-6;;;/h2-5H,(H,8,9);;;1H2/q-1;+2;+1;/p-2

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Names and synonyms

6 names
  • Mercurate(1-), (4-carboxylatophenyl)hydroxy-, sodium (1:1)
  • Mercury, (p-carboxyphenyl)hydroxy-, monosodium salt
  • Mercurate(1-), (4-carboxylatophenyl)hydroxy-, sodium
  • PHMB
  • Sodium 4-(hydroxymercuri)benzoate
  • NSC 1048

Work with Sodium p-hydroxymercuribenzoate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

p-Chloromercuribenzoic acid59-85-8Salt

Similar compounds

Sodium oxalate62-76-032 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook